(Q105007080)

English

3,4-dimethoxy-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyxanthen-9-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3,4-Dimethoxy-2-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxyxanthen-9-one

1 reference

based on heuristic

inferred from SMILES

mass

580.179205704 dalton

1 reference

1 reference

inferred from InChIKey

chemical formula

C₂₇H₃₂O₁₄

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canonical SMILES

O=C1C=2C=CC=CC2OC3=C(OC)C(OC)=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)C=C13

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isomeric SMILES

COc1c(O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)cc2c(=O)c3ccccc3oc2c1OC

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found in taxon

Polygala karensium

1 reference

stated in

Xanthone glycosides from Polygala tenuifolia and their conformational analyses.

Identifiers

InChI

InChI=1S/C27H32O14/c1-10-16(28)19(31)21(33)26(38-10)37-9-15-18(30)20(32)22(34)27(41-15)40-14-8-12-17(29)11-6-4-5-7-13(11)39-23(12)25(36-3)24(14)35-2/h4-8,10,15-16,18-22,26-28,30-34H,9H2,1-3H3/t10-,15+,16-,18-,19+,20-,21+,22+,26+,27+/m0/s1

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InChIKey

GECFJWYRKNFCKK-LULSETSHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GECFJWYRKNFCKK-LULSETSHSA-N

(Q105007080)

3,4-dimethoxy-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyxanthen-9-one

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